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CHEBI:75608 - 2-palmitoyloxypalmityl palmitate

ChEBI IDCHEBI:75608
ChEBI Name2-palmitoyloxypalmityl palmitate
Stars
DefinitionA wax ester resulting from the formal condensation of both the hydroxy groups of hexadecane-1,2-diol with two molecules of palmitic acid.
Last Modified12 September 2013
Submitterlaimo
DownloadsMolfile
FormulaC48H94O4
Net Charge0
Average Mass735.276
Monoisotopic Mass734.71521
SMILESCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C48H94O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-47(49)51-45-46(42-39-36-33-30-27-24-21-18-15-12-9-6-3)52-48(50)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
InChIKeyJBXHTKYUTHLVLY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent 1,2-hexadecanediol (CHEBI:75586)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) has functional parent hexadecanoic acid (CHEBI:15756)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) is a hexadecanoate ester (CHEBI:25835)
2-palmitoyloxypalmityl palmitate (CHEBI:75608) is a wax ester (CHEBI:10036)
IUPAC Name 
hexadecane-1,2-diyl dihexadecanoate
Synonym  Source
2-hexadecanoyloxyhexadecyl hexadecanoateSUBMITTER
UniProt Name  Source
1,2-O,O-dihexadecanoyl-1,2-hexadecanediolUniProt
Registry NumbersSources
Reaxys:2317354Reaxys